2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone

C11H18N4O — CID 162015227

IUPAC2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone
SMILESCn1cc(N2CCCC(C(=O)CN)C2)cn1
InChIInChI=1S/C11H18N4O/c1-14-8-10(6-13-14)15-4-2-3-9(7-15)11(16)5-12/h6,8-9H,2-5,7,12H2,1H3
InChIKeyYJMDOVXGCWLTEQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.16
Rot. Bonds3

About 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone

2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone (PubChem CID 162015227) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone
PubChem CID162015227
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone
SMILESCn1cc(N2CCCC(C(=O)CN)C2)cn1
InChIInChI=1S/C11H18N4O/c1-14-8-10(6-13-14)15-4-2-3-9(7-15)11(16)5-12/h6,8-9H,2-5,7,12H2,1H3
InChIKeyYJMDOVXGCWLTEQ-UHFFFAOYSA-N
XLogP0.16
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone?
The IUPAC name of 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone (CID 162015227) is 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone is Cn1cc(N2CCCC(C(=O)CN)C2)cn1.
What is the InChIKey of 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone?
The InChIKey is YJMDOVXGCWLTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-8-10(6-13-14)15-4-2-3-9(7-15)11(16)5-12/h6,8-9H,2-5,7,12H2,1H3.
What are the key properties of 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone?
2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone has a molecular weight of 222.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 162015227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).